UCSF

ZINC42172289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.74 -105.84 4 2 2 33 172.316 5
Hi High (pH 8-9.5) 1.32 3.57 -34.16 3 2 1 29 171.308 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )